3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate

C16H19N2O6- — CID 86668538

IUPAC3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
SMILESCOc1cccc(C2CN(C(=O)[O-])C3(COCCOC3)C(=O)N2)c1
InChIInChI=1S/C16H20N2O6/c1-22-12-4-2-3-11(7-12)13-8-18(15(20)21)16(14(19)17-13)9-23-5-6-24-10-16/h2-4,7,13H,5-6,8-10H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyHZNANSSMRJSDAP-UHFFFAOYSA-M
MW335.34 g/mol
LogP-0.70
Rot. Bonds2

About 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate

3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate (PubChem CID 86668538) has the molecular formula C16H19N2O6- and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
PubChem CID86668538
Molecular FormulaC16H19N2O6-
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
SMILESCOc1cccc(C2CN(C(=O)[O-])C3(COCCOC3)C(=O)N2)c1
InChIInChI=1S/C16H20N2O6/c1-22-12-4-2-3-11(7-12)13-8-18(15(20)21)16(14(19)17-13)9-23-5-6-24-10-16/h2-4,7,13H,5-6,8-10H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyHZNANSSMRJSDAP-UHFFFAOYSA-M
XLogP-0.70
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate?
The IUPAC name of 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate (CID 86668538) is 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate?
The canonical SMILES for 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate is COc1cccc(C2CN(C(=O)[O-])C3(COCCOC3)C(=O)N2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate?
The InChIKey is HZNANSSMRJSDAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H20N2O6/c1-22-12-4-2-3-11(7-12)13-8-18(15(20)21)16(14(19)17-13)9-23-5-6-24-10-16/h2-4,7,13H,5-6,8-10H2,1H3,(H,17,19)(H,20,21)/p-1.
What are the key properties of 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate?
3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate has a molecular weight of 335.34 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate is sourced from PubChem (CID 86668538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).